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N-{13-azapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl}-1,1,1-trifluoromethanesulfonamide

N-{13-azapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl}-1,1,1-trifluoromethanesulfonamide

Formula: C23H17F3N2O2S

SMILES: FC(F)(F)S(=O)(=O)NC1=CC2=CC=CC=C2C2=C1CNCC1=C2C2=CC=CC=C2C=C1

IUPAC: N-{13-azapentacyclo[13.8.0.0²,¹¹.0³,?.0¹?,²³]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl}-1,1,1-trifluoromethanesulfonamide

InChI: InChI=1S/C23H17F3N2O2S/c24-23(25,26)31(29,30)28-20-11-15-6-2-4-8-18(15)22-19(20)13-27-12-16-10-9-14-5-1-3-7-17(14)21(16)22/h1-11,27-28H,12-13H2

Composition: C (62.44%), H (3.87%), F (12.88%), N (6.33%), O (7.23%), S (7.25%)

Molar Mass: 442.46

Atom Count: 48

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 442.096283458
Formal Charge 0
FSP3 0.13
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey FUXIMCCGGZIJJQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.03
Topological Polar Surface Area 58.2
Polarizability 46.93
Ring Count 5
Rotatable Bond Count 2

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Purity LeadTime Formula UnitPrice
98% <14 Days C23H17F3N2O2S Quote Only